论文标题

形状对四面体纳米塑料和细胞膜相互作用动力学的影响

Effects of Shape on Interaction Dynamics of Tetrahedral Nanoplastics and the Cell Membrane

论文作者

Yong, Xin, Du, Ke

论文摘要

纳米塑料的细胞摄取对环境积累和通过食物链转移到人类有助于。尽管使用球形塑料纳米颗粒进行了广泛的研究,但仍研究了环境释放的纳米塑料形态特征的影响。使用耗散粒子动力学模拟,我们建模了细胞膜和疏水性纳米曲面部之间的相互作用,它们具有高形各向异性和用于环境纳米塑料的较大表面曲率。我们观察到纳米肌的强劲摄取,并通过脂质膜锋利的顶点和边缘。针对大尺寸的颗粒鉴定出嵌入膜双层中嵌入膜双层中的两种局部能量最小构型。对膜内粒子动力学的进一步分析表明,两个相互作用状态在正常的方向上表现出明显的平移和旋转动力学,并且与膜平面平行。膜限制显着阻止了平面外运动,导致笼子翻译和延伸性旋转。虽然平面扩散仍然是布朗尼,但我们发现,随着粒径的增加,平移和旋转模式彼此脱离。与翻译扩散相比,旋转扩散远离连续性理论预测。这些结果提供了对拥挤脂质膜中纳米颗粒动力学影响的形状影响的基本见解。

Cellular uptake of nanoplastics is instrumental in their environmental accumulation and transfer to humans through the food chain. Despite extensive studies using spherical plastic nanoparticles, the influence of the morphological characteristics of environmentally released nanoplastics is understudied. Using dissipative particle dynamics simulations, we modeled the interactions between a cell membrane and hydrophobic nanotetrahedra, which feature high shape anisotropy and large surface curvature seen for environmental nanoplastics. We observe robust uptake of nanotetrahedra with sharp vertices and edges by the lipid membrane. Two local energy minimum configurations of nanotetrahedra embedded in the membrane bilayer were identified for particles of large sizes. Further analysis of particle dynamics within the membrane shows that the two interaction states exhibit distinct translational and rotational dynamics in the directions normal and parallel to the plane of the membrane. The membrane confinement significantly arrests the out-of-plane motion, resulting in caged translation and subdiffusive rotation. While the in-plane diffusion remains Brownian, we find that the translational and rotational modes decouple from each other as the particle size increases. The rotational diffusion decreases by a greater extent compared to the translational diffusion, deviating from the continuum theory predictions. These results provide fundamental insights into the shape effect on the nanoparticle dynamics in crowded lipid membranes.

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